1-[4-(1,3-benzodioxol-5-ylamino)-6-chloranyl-quinazolin-2-yl]piperidine-4-carboxylic acid

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylamino)-6-chloranyl-quinazolin-2-yl]piperidine-4-carboxylic acid Openeye Name: 1-[4-(1,3-benzodioxol-5-ylamino)-6-chloro-quinazolin-2-yl]piperidine-4-carboxylic acid CAS Name: 1-[4-(1,3-benzodioxol-5-ylamino)-6-chloro-2-quinazolinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylamino)-6-chloroquinazolin-2-yl]piperidine-4-carboxylic acid Traditional Name: 1-[4-(1,3-benzodioxol-5-ylamino)-6-chloro-quinazolin-2-yl]isonipecotic acid Formula: C21H19ClN4O4 MolecularWeight: 426.85296

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C2=NC3=C(C=C(C=C3)Cl)C(=N2)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CCC1C(=O)O)C2=NC3=C(C=C(C=C3)Cl)C(=N2)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H19ClN4O4/c22-13-1-3-16-15(9-13)19(23-14-2-4-17-18(10-14)30-11-29-17)25-21(24-16)26-7-5-12(6-8-26)20(27)28/h1-4,9-10,12H,5-8,11H2,(H,27,28)(H,23,24,25)